UCSF

ZINC36968862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 9.01 -48.01 2 4 1 47 289.309 4
Mid Mid (pH 6-8) 2.64 7.85 -15.37 1 4 0 42 288.301 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )